4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21ClF3N3O3 — CID 90456683

IUPAC4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCn1cc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-11-15(5-6-20(19)25)22(32)29-18-4-2-3-17(13-18)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32)
InChIKeyLQZBVXAUJUDJCH-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.81
Rot. Bonds4

About 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 90456683) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID90456683
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCn1cc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-11-15(5-6-20(19)25)22(32)29-18-4-2-3-17(13-18)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32)
InChIKeyLQZBVXAUJUDJCH-UHFFFAOYSA-N
XLogP4.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 90456683) is 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is Cn1cc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.
What is the InChIKey of 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LQZBVXAUJUDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-11-15(5-6-20(19)25)22(32)29-18-4-2-3-17(13-18)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32).
What are the key properties of 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 491.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90456683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).